C16H20ClN3O5S
TL;DR: C16H20ClN3O5S (CAS 1173682-99-9) is a chemical compound with molecular formula C16H20ClN3O5S and molecular weight 401.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(1S)-1-[5-[(4-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate
Also Known As: (S)-tert-butyl (1-(5-((4-chlorobenzyl)sulfonyl)-1,3,4-oxadiazol-2-yl)ethyl)carbamate, tert-butyl N-[(1S)-1-[5-[(4-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate
| Molecular Formula | C16H20ClN3O5S |
|---|---|
| Molecular Weight | 401.08 g/mol |
| LogP | 3.2826 |
| Topological Polar Surface Area | 111.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.0812 |
| Heavy Atoms | 26 |
| Complexity | 872.03534 |
Chemical Identifiers
| CAS Number | 1173682-99-9 |
|---|---|
| SMILES | C[C@@H](C1=NN=C(O1)S(=O)(=O)CC2=CC=C(C=C2)Cl)NC(=O)OC(C)(C)C |
Product Overview
C16H20ClN3O5S (CAS 1173682-99-9), with molecular formula C16H20ClN3O5S and molecular weight 401.08 g/mol. IUPAC: tert-butyl N-[(1S)-1-[5-[(4-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate.
Chemical Property Profile of C16H20ClN3O5S
Property Insights of C16H20ClN3O5S
The XLogP value of 3.2826 indicates that C16H20ClN3O5S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.39 Ų falls within the moderate polarity range, balancing permeability and solubility for C16H20ClN3O5S. Following Lipinski's Rule of Five, C16H20ClN3O5S has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C16H20ClN3O5S?
The CAS number of C16H20ClN3O5S is 1173682-99-9.
What is the molecular formula of C16H20ClN3O5S?
The molecular formula of C16H20ClN3O5S is C16H20ClN3O5S.
What is the molecular weight of C16H20ClN3O5S?
The molecular weight of C16H20ClN3O5S is 401.08 g/mol.
Where can I buy C16H20ClN3O5S?
You can request a quote for C16H20ClN3O5S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H20ClN3O5S?
Yes, KEHONG BIO provides custom synthesis services for C16H20ClN3O5S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.